Geometry & MOs

Info

ID:	355126
PubChem CID:	127288058
Reduced:	ClOSN5C18H24 (1)
Stoich.:	ABCD5E18F24 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	12.81
Dipole, Da:	3.44
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylpiperidin-4-yl)-N-methyl-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)N(C)C(=O)C2=CC(=C(N=C2)SC3=NC=CN3C)Cl

DOS

IR

Vibrations